Concepedia

Theoretical study of the cracking mechanisms of linear α-olefins catalyzed by zeolites

Yu-Hua Guo, Min Pu, Jingyi Wu, Jiaying Zhang, Biaohua Chen

Applied Surface Science · 2007 · 23 citations · 44 references

DOI

Concepts

References

44

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

Chengteh Lee, Weitao Yang, Robert G. Parr · Physical review. B, Condensed matter · 1988 · 100.1K citations

, , +17

Density-functional exchange-energy approximation with correct asymptotic behavior

Axel D. Becke · Physical review. A, General physics · 1988 · 53.5K citations

, , +17

Density-functional theory of atoms and molecules

James D. Patterson · Annals of Nuclear Energy · 1989 · 12.6K citations

, , +12

An improved algorithm for reaction path following

Carlos A. Gonzalez, H. Bernhard Schlegel · The Journal of Chemical Physics · 1989 · 6.1K citations

, , +9

Reaction path following in mass-weighted internal coordinates

Carlos González, H. Bernhard Schlegel · The Journal of Physical Chemistry · 1990 · 5.9K citations

, , +4